N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine

C23H40N2O2 — CID 145027124

IUPACN'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine
SMILESC/C=C\C1=C(CC)CC(N(CC/C(=C\C(=C/C)OC)OC)CC(C)CN)C1
InChIInChI=1S/C23H40N2O2/c1-7-10-20-14-21(13-19(20)8-2)25(17-18(4)16-24)12-11-23(27-6)15-22(9-3)26-5/h7,9-10,15,18,21H,8,11-14,16-17,24H2,1-6H3/b10-7-,22-9+,23-15+
InChIKeyTYJMYHXRDJOOLZ-APQDMYQTSA-N
MW376.59 g/mol
LogP4.80
Rot. Bonds12

About N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine

N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine (PubChem CID 145027124) has the molecular formula C23H40N2O2 and a molecular weight of 376.59 g/mol. Its IUPAC name is N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine
PubChem CID145027124
Molecular FormulaC23H40N2O2
Molecular Weight376.59 g/mol
Exact Mass376.31
IUPAC NameN'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine
SMILESC/C=C\C1=C(CC)CC(N(CC/C(=C\C(=C/C)OC)OC)CC(C)CN)C1
InChIInChI=1S/C23H40N2O2/c1-7-10-20-14-21(13-19(20)8-2)25(17-18(4)16-24)12-11-23(27-6)15-22(9-3)26-5/h7,9-10,15,18,21H,8,11-14,16-17,24H2,1-6H3/b10-7-,22-9+,23-15+
InChIKeyTYJMYHXRDJOOLZ-APQDMYQTSA-N
XLogP4.80
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine?
The IUPAC name of N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine (CID 145027124) is N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine is C/C=C\C1=C(CC)CC(N(CC/C(=C\C(=C/C)OC)OC)CC(C)CN)C1.
What is the InChIKey of N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine?
The InChIKey is TYJMYHXRDJOOLZ-APQDMYQTSA-N. The full InChI is InChI=1S/C23H40N2O2/c1-7-10-20-14-21(13-19(20)8-2)25(17-18(4)16-24)12-11-23(27-6)15-22(9-3)26-5/h7,9-10,15,18,21H,8,11-14,16-17,24H2,1-6H3/b10-7-,22-9+,23-15+.
What are the key properties of N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine?
N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine has a molecular weight of 376.59 g/mol, XLogP of 4.80, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E,5E)-3,5-dimethoxyhepta-3,5-dienyl]-N'-[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]-2-methylpropane-1,3-diamine is sourced from PubChem (CID 145027124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).